methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate

C16H16O5 — CID 78767749

IUPACmethyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(COc2ccc(C(C)=O)cc2)oc1C
InChIInChI=1S/C16H16O5/c1-10(17)12-4-6-13(7-5-12)20-9-14-8-15(11(2)21-14)16(18)19-3/h4-8H,9H2,1-3H3
InChIKeyFEIOZEDGXUUNII-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.16
Rot. Bonds5

About methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate

methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate (PubChem CID 78767749) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate
PubChem CID78767749
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Namemethyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(COc2ccc(C(C)=O)cc2)oc1C
InChIInChI=1S/C16H16O5/c1-10(17)12-4-6-13(7-5-12)20-9-14-8-15(11(2)21-14)16(18)19-3/h4-8H,9H2,1-3H3
InChIKeyFEIOZEDGXUUNII-UHFFFAOYSA-N
XLogP3.16
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(4-methoxycarbonylphenoxy)methyl]-2-methylfuran-3-carboxylate
CID 9019518
methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
CID 106484958
methyl 5-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7625888
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
methyl 2-methyl-5-[(4-morpholin-4-ylsulfonylphenoxy)methyl]furan-3-carboxylate
CID 9331544
methyl 5-[(4-chlorobenzoyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 2481052
methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
CID 7705728
methyl 5-[(3-hydroxynaphthalene-2-carbonyl)oxymethyl]-2-methylfuran-3-carboxylate
CID 7812111
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[[4-(difluoromethylsulfonyl)benzoyl]oxymethyl]-2-methylfuran-3-carboxylate
CID 7679809
methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate
CID 34481720
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 56545761

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate (CID 78767749) is methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(COc2ccc(C(C)=O)cc2)oc1C.
What is the InChIKey of methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate?
The InChIKey is FEIOZEDGXUUNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-10(17)12-4-6-13(7-5-12)20-9-14-8-15(11(2)21-14)16(18)19-3/h4-8H,9H2,1-3H3.
What are the key properties of methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-acetylphenoxy)methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78767749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).